[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C14H14ClFN4 — CID 82805386

IUPAC[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cc2cccc(Cl)c2F)nc2c1CCC2
InChIInChI=1S/C14H14ClFN4/c15-10-5-1-3-8(13(10)16)7-12-18-11-6-2-4-9(11)14(19-12)20-17/h1,3,5H,2,4,6-7,17H2,(H,18,19,20)
InChIKeyPSBZLTOMISUMMS-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.63
Rot. Bonds3

About [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 82805386) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID82805386
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cc2cccc(Cl)c2F)nc2c1CCC2
InChIInChI=1S/C14H14ClFN4/c15-10-5-1-3-8(13(10)16)7-12-18-11-6-2-4-9(11)14(19-12)20-17/h1,3,5H,2,4,6-7,17H2,(H,18,19,20)
InChIKeyPSBZLTOMISUMMS-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 82802480
[2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62252161
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82790822
2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190524
2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191391
[2-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351692
[2-[(3-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 66072112
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104818402
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674
[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62596851
[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62716893

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 82805386) is [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(Cc2cccc(Cl)c2F)nc2c1CCC2.
What is the InChIKey of [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is PSBZLTOMISUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c15-10-5-1-3-8(13(10)16)7-12-18-11-6-2-4-9(11)14(19-12)20-17/h1,3,5H,2,4,6-7,17H2,(H,18,19,20).
What are the key properties of [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 292.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82805386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).